(E,2S,3R)-2-azido-3-phenylmethoxy-octadec-4-en-1-ol

Systemtic Name: (E,2S,3R)-2-azido-3-phenylmethoxy-octadec-4-en-1-ol Openeye Name: (E,2S,3R)-2-azido-3-benzyloxy-octadec-4-en-1-ol CAS Name: (E,2S,3R)-2-azido-3-phenylmethoxy-4-octadecen-1-ol IUPAC Name: (E,2S,3R)-2-azido-3-phenylmethoxyoctadec-4-en-1-ol Traditional Name: (E,2S,3R)-2-azido-3-benzoxy-octadec-4-en-1-ol Formula: C25H41N3O2 MolecularWeight: 415.61194

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCC=CC(C(CO)N=[N+]=[N-])OCC1=CC=CC=C1

Isomeric SMILES

CCCCCCCCCCCCC/C=C/[C@H]([C@H](CO)N=[N+]=[N-])OCC1=CC=CC=C1

InChI

InChI=1S/C25H41N3O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-17-20-25(24(21-29)27-28-26)30-22-23-18-15-14-16-19-23/h14-20,24-25,29H,2-13,21-22H2,1H3/b20-17+/t24-,25+/m0/s1